N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide

C18H20N6O2 — CID 167788200

IUPACN-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cc(C4CCCN4)[nH]n3)n[nH]2)cc1
InChIInChI=1S/C18H20N6O2/c1-26-12-6-4-11(5-7-12)14-10-17(24-21-14)20-18(25)16-9-15(22-23-16)13-3-2-8-19-13/h4-7,9-10,13,19H,2-3,8H2,1H3,(H,22,23)(H2,20,21,24,25)
InChIKeyRVHNEBLNNUDERC-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.49
Rot. Bonds5

About N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide

N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 167788200) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide
PubChem CID167788200
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cc(C4CCCN4)[nH]n3)n[nH]2)cc1
InChIInChI=1S/C18H20N6O2/c1-26-12-6-4-11(5-7-12)14-10-17(24-21-14)20-18(25)16-9-15(22-23-16)13-3-2-8-19-13/h4-7,9-10,13,19H,2-3,8H2,1H3,(H,22,23)(H2,20,21,24,25)
InChIKeyRVHNEBLNNUDERC-UHFFFAOYSA-N
XLogP2.49
TPSA107.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-methyl-1H-pyrazole-3-carboxamide;formic acid
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CID 99741436
N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide
CID 167971745
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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide (CID 167788200) is N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide is COc1ccc(-c2cc(NC(=O)c3cc(C4CCCN4)[nH]n3)n[nH]2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is RVHNEBLNNUDERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-26-12-6-4-11(5-7-12)14-10-17(24-21-14)20-18(25)16-9-15(22-23-16)13-3-2-8-19-13/h4-7,9-10,13,19H,2-3,8H2,1H3,(H,22,23)(H2,20,21,24,25).
What are the key properties of N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide?
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 167788200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).